Astin A
TL;DR: Astin A (CAS 151201-75-1) is a chemical compound with molecular formula C25H33Cl2N5O7 and molecular weight 585.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4R)-N-[(2S,4S,5S)-4-[(3-amino-2-phenylpropanoyl)amino]-2-formyl-1,5-dihydroxy-3-oxohexan-2-yl]-3,4-dichloro-N-(2-iminobutanoyl)pyrrolidine-2-carboxamide
Also Known As: Astin A, Cyclo((3R)-3-phenyl-beta-alanyl-L-allothreonyl-(3S,4R)-3,4-dichloro-L-prolyl-(2S)-2-aminobutanoyl-L-seryl), (2R,3S,4R)-N-((2S,4S,5S)-4-((3-amino-2-phenylpropanoyl)amino)-2-formyl-1,5-dihydroxy-3-oxohexan-2-yl)-3,4-dichloro-N-(2-iminobutanoyl)pyrrolidine-2-carboxamide, (2R,3S,4R)-N-[(2S,4S,5S)-4-[(3-amino-2-phenylpropanoyl)amino]-2-formyl-1,5-dihydroxy-3-oxohexan-2-yl]-3,4-dichloro-N-(2-iminobutanoyl)pyrrolidine-2-carboxamide, (3S,7R,10S,13S,16R,17S,18R)-17,18-dichloro-13-ethyl-3-((1S)-1-hydroxyethyl)-10-(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo(14.3.0)nonadecane-2,5,9,12,15-pentone
| Molecular Formula | C25H33Cl2N5O7 |
|---|---|
| Molecular Weight | 585.18 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 585.1757 |
| Heavy Atoms | 39 |
| Complexity | 948.0 |
Chemical Identifiers
| CAS Number | 151201-75-1 |
|---|---|
| SMILES | CCC(=N)C(=O)N(C(=O)[C@@H]1[C@@H]([C@@H](CN1)Cl)Cl)[C@@](CO)(C=O)C(=O)[C@H]([C@H](C)O)NC(=O)C(CN)C2=CC=CC=C2 |
| InChIKey | KIIUEGNDXIENBT-DZOKUYDTSA-N |
Product Overview
Astin A (CAS 151201-75-1), with molecular formula C25H33Cl2N5O7 and molecular weight 585.18 g/mol. IUPAC: (2R,3S,4R)-N-[(2S,4S,5S)-4-[(3-amino-2-phenylpropanoyl)amino]-2-formyl-1,5-dihydroxy-3-oxohexan-2-yl]-3,4-dichloro-N-(2-iminobutanoyl)pyrrolidine-2-carboxamide.
Chemical Property Profile of Astin A
Property Insights of Astin A
The XLogP value of -0.9 indicates that Astin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 203.0 Ų indicates high polarity, suggesting Astin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Astin A has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Astin A?
The CAS number of Astin A is 151201-75-1.
What is the molecular formula of Astin A?
The molecular formula of Astin A is C25H33Cl2N5O7.
What is the molecular weight of Astin A?
The molecular weight of Astin A is 585.18 g/mol.
Where can I buy Astin A?
You can request a quote for Astin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Astin A?
Yes, KEHONG BIO provides custom synthesis services for Astin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.